[2-cyano-4-(3-methylbutyl)phenyl] 4-(4-decylcyclohexyl)benzoate

Systemtic Name: [2-cyano-4-(3-methylbutyl)phenyl] 4-(4-decylcyclohexyl)benzoate Openeye Name: (2-cyano-4-isopentyl-phenyl) 4-(4-decylcyclohexyl)benzoate CAS Name: 4-(4-decylcyclohexyl)benzoic acid [2-cyano-4-(3-methylbutyl)phenyl] ester IUPAC Name: [2-cyano-4-(3-methylbutyl)phenyl] 4-(4-decylcyclohexyl)benzoate Traditional Name: 4-(4-decylcyclohexyl)benzoic acid (2-cyano-4-isoamyl-phenyl) ester Formula: C35H49NO2 MolecularWeight: 515.76906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=C(C=C(C=C3)CCC(C)C)C#N

Isomeric SMILES

CCCCCCCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=C(C=C(C=C3)CCC(C)C)C#N

InChI

InChI=1S/C35H49NO2/c1-4-5-6-7-8-9-10-11-12-28-15-18-30(19-16-28)31-20-22-32(23-21-31)35(37)38-34-24-17-29(14-13-27(2)3)25-33(34)26-36/h17,20-25,27-28,30H,4-16,18-19H2,1-3H3